4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile

C16H18N4 — CID 43669097

IUPAC4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
SMILESCN1CCCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C16H18N4/c1-19-7-4-8-20(10-9-19)16-13(11-17)12-18-15-6-3-2-5-14(15)16/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyHDQNUZDROCKPGH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.25
Rot. Bonds1

About 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile

4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile (PubChem CID 43669097) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
PubChem CID43669097
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
SMILESCN1CCCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C16H18N4/c1-19-7-4-8-20(10-9-19)16-13(11-17)12-18-15-6-3-2-5-14(15)16/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyHDQNUZDROCKPGH-UHFFFAOYSA-N
XLogP2.25
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133469371
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
CID 133486256
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 107392588
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile (CID 43669097) is 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile is CN1CCCN(c2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile?
The InChIKey is HDQNUZDROCKPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19-7-4-8-20(10-9-19)16-13(11-17)12-18-15-6-3-2-5-14(15)16/h2-3,5-6,12H,4,7-10H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile?
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 43669097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).